N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

C14H10BrN3O2 — CID 116784693

IUPACN-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H10BrN3O2/c1-8-11(7-17-20-8)14(19)18-12-4-2-3-9-5-10(15)6-16-13(9)12/h2-7H,1H3,(H,18,19)
InChIKeyOZKFPLVALRXUEI-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.55
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 116784693) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID116784693
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC NameN-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H10BrN3O2/c1-8-11(7-17-20-8)14(19)18-12-4-2-3-9-5-10(15)6-16-13(9)12/h2-7H,1H3,(H,18,19)
InChIKeyOZKFPLVALRXUEI-UHFFFAOYSA-N
XLogP3.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
N-(3-bromoquinolin-8-yl)-3-hydroxypyridine-2-carboxamide
CID 116784767
methyl 3-[(3-bromoquinolin-8-yl)carbamoyl]benzoate
CID 19592861
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827
N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide
CID 116784653
N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114309588
3-amino-N-(3-bromoquinolin-8-yl)-1H-1,2,4-triazole-5-carboxamide
CID 116784345

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 116784693) is N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OZKFPLVALRXUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-8-11(7-17-20-8)14(19)18-12-4-2-3-9-5-10(15)6-16-13(9)12/h2-7H,1H3,(H,18,19).
What are the key properties of N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 116784693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).